[
  {
    "molid": "mol18531",
    "smiles": "Oc1cccc2c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cccc2c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cccc12",
        "std_free_energy": -6.88739013671875,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc2c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cccc12",
        "std_free_energy": -0.6558615565299988,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]